Benzenecarbothioicacid, S-(phenylmethyl) ester

Modify Date: 2024-01-09 09:55:51

Benzenecarbothioicacid, S-(phenylmethyl) ester structure	Common Name	Benzenecarbothioicacid, S-(phenylmethyl) ester
	CAS Number	13402-51-2	Molecular Weight	228.30900
	Density	1.167g/cm3	Boiling Point	341ºC at 760mmHg
	Molecular Formula	C₁₄H₁₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	146.5ºC

Name	S-benzyl benzenecarbothioate
Synonym	More Synonyms

Density	1.167g/cm3
Boiling Point	341ºC at 760mmHg
Molecular Formula	C₁₄H₁₂OS
Molecular Weight	228.30900
Flash Point	146.5ºC
Exact Mass	228.06100
PSA	42.37000
LogP	3.76020
Vapour Pressure	8.26E-05mmHg at 25°C
Index of Refraction	1.62
InChIKey	IXTYVGVNWHFZBK-UHFFFAOYSA-N
SMILES	O=C(SCc1ccccc1)c1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DH6850000

CHEMICAL NAME :: Benzoic acid, thio-, S-benzyl ester

CAS REGISTRY NUMBER :: 13402-51-2

BEILSTEIN REFERENCE NO. :: 2049281

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C14-H12-O-S

MOLECULAR WEIGHT :: 228.32

WISWESSER LINE NOTATION :: RVS1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1550 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 89,1179,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 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#02522

HS Code	2930909090

Precursor 0
DownStream 10
CAS#:100-51-6 Benzyl alcohol CAS#:93-58-3 Methyl benzoate CAS#:766-92-7 2-Phenylethanethiol CAS#:501-65-5 Diphenylacetylene
CAS#:150-60-7 Dibenzyl disulfide CAS#:100-52-7 Benzaldehyde CAS#:100-53-8 benzylthiol CAS#:65-85-0 benzoic acid
CAS#:92-52-4 Biphenyl CAS#:588-59-0 stilbene

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Tibenzate

S-Benzyl benzothioate

benzyl benzothioate

Tibenzatum [INN-Latin]

Benzyl thiobenzoate

Tibenzato [INN-Spanish]

S-Benzyl thiobenzoate

thiobenzoic acid S-benzyl ester

(S)-benzyl benzenecarbothioate

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Benzenecarbothioicacid, S-(phenylmethyl) ester
Price: Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Benzenecarbothioicacid, S-(phenylmethyl) ester
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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