S-二苯甲基-L-半胱氨酸

S-二苯甲基-L-半胱氨酸 基本信息
CAS号 5191-80-0 分子式 C16H17NO2S
分子量 287.37700 精确质量  287.09800
PSA  88.62000 LogP  3.62140

基本信息 展开↓

CAS号:
5191-80-0
3D弹球模型:
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分子式:
C16H17NO2S
分子量:
287.37700
中文名称:
S-二苯甲基-L-半胱氨酸
英文名称:
(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid
中文别名:
S-二苯甲基-L-半胱氨酸;
4,4'-Cyclohexylidenemethylenediphenol;
4-(Cyclohexylidene(4-hydroxyphenyl)methyl)phenol;
BRN 2055864;
Cyclofenil diphenol;
Phenol, 4-(cyclohexylidene(4-hydroxyphenyl)methyl)-;
alpha-Cyclohexylidene-alpha-(p-hydroxyphenyl)-p-cresol;
p-Cresol, alpha-cyclohexylidene-alpha-(p-hydroxyphenyl)-;
4,4'-(cyclohexylidenemethanediyl)diphenol;
4-[cyclohexylidene(4-hydroxyphenyl)methyl]phenol;
Bis(p-chlorophenyl)sulfide;
Di(4-chlorophenyl)sulfide;
Di-p-chlorophenyl sulfide;
NSC 40470;
p-Chlorophenyl sulfide;
1,1'-sulfanediylbis(4-chlorobenzene);
4,4'-Dichloro Diphenyl Sulfide;
4,4'-Dichlorodiphenylsulfide;
1-Pyrrolidinecarbodithioic acid, ammoniumsalt;
N(beta-aminoethyl)gamma-aminopropyltriethoxy-silane;
Silane coupler KH-791;
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride (1:1);
2-OXAZOLIDINONE-5-SPIRO-4'-[N-(2-PHENYLETHYL)PIPERIDINE] HYDROCHLORIDE;
Fenspiride hydrochloride
英文别名:
(2R)-2-amino-3-benzhydrylsulfanylpropanoic acid;
S-Benzhydryl-L-cysteine;
L-3-(Diphenylmethylthio)alanine;
S-Diphenylmethyl-L-cysteine;
CYSTEINE,S-DIPHENYLMETHYL-,L;
Alanine,3-(diphenylmethylthio)-,L
精确分子量/精确质量:
287.09800
极性分子表面积/PSA:
88.62000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C16H17NO2S/c17-14(16(18)19)11-20-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11,17H2,(H,18,19)

物化性质展开↓

密度:
1.24g/cm3
熔点:
206-207℃ (decomposition)
沸点:
455.5ºC at 760mmHg
闪点:
229.3ºC
折射率:
1.63

安全信息展开↓

海关代码:
2930909090

合成路线查看所有的合成路线

  • 91-01-0

    二苯甲醇

  • +

  • 52-90-4

    L-半胱氨酸

  • ~91%

  • 5191-80-0

    S-二苯甲基-L-半胱氨酸

  • 52-89-1

    L-半胱氨酸盐酸盐无水物

  • +

  • 90-99-3

    二苯氯甲烷

  • 5191-80-0

    S-二苯甲基-L-半胱氨酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HA1800000
CHEMICAL NAME :
Cysteine, S-diphenylmethyl-, L-
CAS REGISTRY NUMBER :
5191-80-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H17-N-O2-S
MOLECULAR WEIGHT :
287.40
WISWESSER LINE NOTATION :
QVYZ1SYR&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02416

海关数据查看详细

中国海关编码:2930909090

概述:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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  • 91-01-0

    二苯甲醇

  • 52-90-4

    L-半胱氨酸

  • 52-89-1

    L-半胱氨酸盐酸盐无水物

  • 90-99-3

    二苯氯甲烷

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